N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

C17H17F3N4O4S2 — CID 141108251

IUPACN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H17F3N4O4S2/c1-10(2)30(27,28)24-15-9-12(6-7-14(15)22-16(24)21)23-29(25,26)13-5-3-4-11(8-13)17(18,19)20/h3-10,23H,1-2H3,(H2,21,22)
InChIKeyYOLJMPBDFAXEBH-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.02
Rot. Bonds5

About N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 141108251) has the molecular formula C17H17F3N4O4S2 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID141108251
Molecular FormulaC17H17F3N4O4S2
Molecular Weight462.48 g/mol
Exact Mass462.06
IUPAC NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H17F3N4O4S2/c1-10(2)30(27,28)24-15-9-12(6-7-14(15)22-16(24)21)23-29(25,26)13-5-3-4-11(8-13)17(18,19)20/h3-10,23H,1-2H3,(H2,21,22)
InChIKeyYOLJMPBDFAXEBH-UHFFFAOYSA-N
XLogP3.02
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-ylsulfonyl-6-[(E)-1-[3-(trifluoromethyl)phenyl]but-1-en-3-ynyl]benzimidazol-2-amine
CID 6479384
N-(2-amino-1-propan-2-ylsulfonylbenzimidazol-5-yl)-4-chlorobenzenesulfonamide
CID 141108026
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(3-fluorophenyl)methanone
CID 515243
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 46379481
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2824424
3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-hydroxy-N-methyl-3-phenylpropanamide
CID 13286499
N-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971880
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 141108251) is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is CC(C)S(=O)(=O)n1c(N)nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YOLJMPBDFAXEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O4S2/c1-10(2)30(27,28)24-15-9-12(6-7-14(15)22-16(24)21)23-29(25,26)13-5-3-4-11(8-13)17(18,19)20/h3-10,23H,1-2H3,(H2,21,22).
What are the key properties of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 462.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 141108251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).